1,3-Dimethylnaphthalene

CAT: 0127-OR1028453Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1028453Size:1 g

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CAS Number

575-41-7

Synonyms

1,3-dimethylnaphthalene

Purity

95%

Smiles

CC1=CC2=CC=CC=C2C(=C1)C

Chemical Information

1,3-Dimethylnaphthalene

1,3-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 1 and 3.

CAS Number	575-41-7
PubChem CID	11327
IUPAC Name	1,3-dimethylnaphthalene
Molecular Formula	C12H12
Molecular Weight	156.22
XLogP	4.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	150

SMILES

CC1=CC2=CC=CC=C2C(=C1)C

InChI

InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3

InChIKey

QHJMFSMPSZREIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 575-41-7

CID: 11327

Formula: C12H12

MW: 156.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.22
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	156.093900383
Monoisotopic Mass	156.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1027734-01	2,3-Dimethylnaphthalene
BUP22958-01	1,8-Dimethylnaphthalene
OR1023259	1,2-Dimethylnaphthalene
OR3959	1,7-Dimethylnaphthalene
OR17622-01	Dimethylnaphthalene
OR1009260-01	1,4-Dimethylnaphthalene
OR92023	1,5-Dimethylnaphthalene
PC1018644-01	1-Fluoro-2,4-dimethylnaphthalene
OR52355	1-Bromo-2,7-dimethylnaphthalene
OR3785-01	2,7-Dimethylnaphthalene